2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride

C9H16ClN3O2 — CID 75480797

IUPAC2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride
SMILESCC(C)c1nc(C2CNCCO2)no1.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyAAZODQXRCNVBTK-UHFFFAOYSA-N
MW233.70 g/mol
LogP1.28
Rot. Bonds2

About 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride

2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride (PubChem CID 75480797) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride
PubChem CID75480797
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride
SMILESCC(C)c1nc(C2CNCCO2)no1.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyAAZODQXRCNVBTK-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride?
The IUPAC name of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride (CID 75480797) is 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride.
What is the SMILES notation for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride?
The canonical SMILES for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride is CC(C)c1nc(C2CNCCO2)no1.Cl.
What is the InChIKey of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride?
The InChIKey is AAZODQXRCNVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.ClH/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7;/h6-7,10H,3-5H2,1-2H3;1H.
What are the key properties of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride?
2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 75480797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).